Record Information |
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Version | 5.0 |
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Status | Expected but not Quantified |
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Creation Date | 2012-09-11 20:14:59 UTC |
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Update Date | 2022-03-07 02:54:27 UTC |
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HMDB ID | HMDB0035293 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | Norambreinolide |
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Description | Norambreinolide belongs to the class of organic compounds known as naphthofurans. Naphthofurans are compounds containing a furan ring fused to a naphthalene moiety. Furan is a 5 membered- ring aromatic ring with four carbon and one oxygen atoms. Naphthalene is a polycyclic aromatic hydrocarbon made up of two fused benzene rings. Norambreinolide is an ambergris, dry, and labdanum tasting compound. Norambreinolide has been detected, but not quantified in, herbs and spices. This could make norambreinolide a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Norambreinolide. |
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Structure | CC12CCC3C(C)(C)CCCC3(C)C1CC(=O)O2 InChI=1S/C16H26O2/c1-14(2)7-5-8-15(3)11(14)6-9-16(4)12(15)10-13(17)18-16/h11-12H,5-10H2,1-4H3 |
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Synonyms | Value | Source |
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(+)-Norambreinolide | HMDB | 12-Norambreinolide | HMDB | 3a,6,6,9a-Tetramethyl-decahydro-naphtho[2,1-b]furan-2-one | HMDB | 3a,6,6,9a-tetramethyldecahydronaphtho[2,1-b]Furan-2(1H)-one | HMDB | Decahydrotetramethylnaphthofuranone | HMDB | FEMA 3794 | HMDB | Norambreinolid | HMDB | Norambreinolide dorm | HMDB | Sclareolide | HMDB |
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Chemical Formula | C16H26O2 |
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Average Molecular Weight | 250.3764 |
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Monoisotopic Molecular Weight | 250.193280076 |
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IUPAC Name | 3a,6,6,9a-tetramethyl-dodecahydronaphtho[2,1-b]furan-2-one |
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Traditional Name | sclareolide |
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CAS Registry Number | 564-20-5 |
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SMILES | CC12CCC3C(C)(C)CCCC3(C)C1CC(=O)O2 |
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InChI Identifier | InChI=1S/C16H26O2/c1-14(2)7-5-8-15(3)11(14)6-9-16(4)12(15)10-13(17)18-16/h11-12H,5-10H2,1-4H3 |
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InChI Key | IMKJGXCIJJXALX-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as naphthofurans. Naphthofurans are compounds containing a furan ring fused to a naphthalene moiety. Furan is a 5 membered- ring aromatic ring with four carbon and one oxygen atoms. Naphthalene is a polycyclic aromatic hydrocarbon made up of two fused benzene rings. |
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Kingdom | Organic compounds |
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Super Class | Organoheterocyclic compounds |
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Class | Naphthofurans |
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Sub Class | Not Available |
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Direct Parent | Naphthofurans |
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Alternative Parents | |
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Substituents | - Naphthofuran
- Gamma butyrolactone
- Tetrahydrofuran
- Lactone
- Carboxylic acid ester
- Oxacycle
- Monocarboxylic acid or derivatives
- Carboxylic acid derivative
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- Aliphatic heteropolycyclic compound
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Molecular Framework | Aliphatic heteropolycyclic compounds |
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External Descriptors | Not Available |
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Ontology |
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Physiological effect | |
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Disposition | |
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Process | Not Available |
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Role | |
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Physical Properties |
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State | Solid |
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Experimental Molecular Properties | |
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Experimental Chromatographic Properties | Not Available |
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Predicted Molecular Properties | |
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Predicted Chromatographic Properties | Predicted Collision Cross SectionsPredicted Kovats Retention IndicesUnderivatized |
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| GC-MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Predicted GC-MS | Predicted GC-MS Spectrum - Norambreinolide GC-MS (Non-derivatized) - 70eV, Positive | splash10-0kg9-1970000000-9bb3c07c120cdf287074 | 2017-09-01 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Norambreinolide GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Norambreinolide GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum |
MS/MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Norambreinolide 10V, Positive-QTOF | splash10-0udi-0190000000-79e30f095ad019575c6a | 2015-04-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Norambreinolide 20V, Positive-QTOF | splash10-0udi-2590000000-79b3ccd278824dce9431 | 2015-04-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Norambreinolide 40V, Positive-QTOF | splash10-052p-9630000000-2432ca12bbc5b792f12d | 2015-04-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Norambreinolide 10V, Negative-QTOF | splash10-0002-0090000000-902bb4c0ff306165a7b0 | 2015-04-25 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Norambreinolide 20V, Negative-QTOF | splash10-052b-0090000000-1f61b09bb60147aa9497 | 2015-04-25 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Norambreinolide 40V, Negative-QTOF | splash10-0udu-9870000000-ad9c2baccef8d25f02b1 | 2015-04-25 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Norambreinolide 10V, Positive-QTOF | splash10-0udi-0190000000-3e08cef9800d1bd5a628 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Norambreinolide 20V, Positive-QTOF | splash10-001i-9550000000-79718e042312d242ffdf | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Norambreinolide 40V, Positive-QTOF | splash10-00di-7900000000-e9f09b26ee0205d61d70 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Norambreinolide 10V, Negative-QTOF | splash10-0002-0090000000-075bfc89a13828361707 | 2021-09-25 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Norambreinolide 20V, Negative-QTOF | splash10-0002-0090000000-480f6ea2fb15cfc9441f | 2021-09-25 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Norambreinolide 40V, Negative-QTOF | splash10-0002-2090000000-7c02cfeca67577f56b64 | 2021-09-25 | Wishart Lab | View Spectrum |
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